N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C17H14ClN3O2 — CID 718212

IUPACN-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C17H14ClN3O2/c1-21-17(23)14-5-3-2-4-13(14)15(20-21)10-16(22)19-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyHRXZKNPWPDMECN-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.77
Rot. Bonds3

About N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 718212) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID718212
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C17H14ClN3O2/c1-21-17(23)14-5-3-2-4-13(14)15(20-21)10-16(22)19-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyHRXZKNPWPDMECN-UHFFFAOYSA-N
XLogP2.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 718212) is N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is HRXZKNPWPDMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-21-17(23)14-5-3-2-4-13(14)15(20-21)10-16(22)19-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 327.77 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 718212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).